| 1544717-05-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1544717-05-6
• 化学式: C₃₆H₃₂N₆O₄
• 分子量: 612.688
• InChiKey: JKCYPWUTKFTQKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.32
• 重原子数：
  46.0
• 可旋转键数：
  11.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  119.28
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 、 nickel(II) acetate tetrahydrate 以 氯仿 为溶剂， 反应 336.0h， 以54.8%的产率得到
  参考文献：
  名称：

  Symmetric containing-PMBP N2O2-donors nickel(II) complexes: Syntheses, structures, Hirshfeld analyses and fluorescent properties

  摘要：

  One mononuclear Ni(II) complex [Ni(L-1)(MeOH)(2)]center dot MeOH (1) and two novel trinuclear Ni(II) complexes [Ni-3(L-2)(3)(EtOH)(6)] (2) and [Ni-3(L-2)(3)(H2O)(6)](3) constructed from symmetric N2O2 -donors chelating ligands (H2L1 and H2L2 ) were synthesized and characterized by elemental analyses, FT-IR, UV-Vis spectra and fluorescence spectra. The structures of all three complexes were confirmed by single crystal X-ray diffraction analyses. Complex 1 includes one Ni(II) atom, one completely deprotonated (L-1)(2- )unit and two coordinated methanol molecules, and forms an infinite 2D supramolecular network via the intermolecular hydrogen bonds. While complex 2 or 3 is trinuclear with three Ni(II) atoms, three completely deprotonated (L-2)(2- )units and six coordinated ethanol or H2O molecules. These self-assembling complexes form different dimensional supramolecular structures through inter- and intramolecular hydrogen bonds. Hirshfeld surface analyses for complexes 1, 2 and 3 were mapped with various functions and further quantification of intermolecular interactions was made through the generation of 2D fingerprint plots. In addition, the fluorescence titration experiments were used to characterize fluorescence properties of complexes 1 and 2. (C) 2019 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2019.03.008
• 作为产物：
  描述：

  1,2-二(氨氧基)乙烷 、 4-benzoyl-3-methyl-1-phenylpyrazol-5-one 以 乙醇 为溶剂， 反应 10.0h， 以75.2%的产率得到
  参考文献：
  名称：

  含PMBP N2O2供体过渡金属（II）配合物：合成，晶体结构，Hirshfeld表面分析和荧光性质

  摘要：

  三种新设计的含PMBP N 2 O 2供体的配合物[Co（L 1）（CH 3 OH）2 ]（1），[{Zn（L 2）（CH 3 OH）（H 2 O）} 3 ]（2）和[铜4（L 2）4 ]⋅2CHCl 3（3），已被合成，并使用元素分析，红外和紫外-可见光谱和单晶X射线衍射结构表征。X射线晶体结构测定表明1由一个Co（II）原子，一个完全去质子化的（L 1）2-单元和两个配位的甲醇分子组成。配合物2由三个Zn（II）原子，三个完全去质子化的（L 2）2−单元，三个配位的甲醇分子和三个配位的水分子组成。但是，3包含四个Cu（II）原子，四个完全去质子化的（L 2）2-单元和两个结晶氯仿分子。1和2结构中的Co（II）和Zn（II）原子采用略微扭曲的八面体几何形状。而3中的Cu（II）原子最好形容为采用略微扭曲的正方形平面几何形状。络合物2是一种新颖的结构，H 2 L 2与Zn（II）原子的比

  DOI：

  10.1002/aoc.5013

文献信息

• A new cyclic supramolecular Zn(<scp>ii</scp>) complex derived from a N₂O₂oxime chelate ligand with luminescence mechanochromism
  作者：Shou-Ting Zhang、Tian-Rong Li、Bao-Dui Wang、Zheng-Yin Yang、Jian Liu、Zhi-Yi Wang、Wen-Kui Dong

  DOI：10.1039/c3dt52340c

  日期：——

  A new Zn(II) complex was synthesized based on a new Salen-type tetradentate N2O2 bisoxime chelate ligand (H2L) derived from 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone (PMBP) and 1,2-bis(aminooxy)ethane. Single-crystal X-ray diffraction analysis reveals that the structure of the Zn(II) complex features a three-dimensional (3D) cyclic supramolecular system via intermolecular hydrogen bonds. Moreover, the solid-state photoluminescent properties demonstrate that the Zn(II) complex exhibits unusual luminescence mechanochromism tuned by CH3OH.

  一种新的Zn(II)复合物是基于一种新的Salen型四齿N2O2双肟螯合配体（H2L）合成的，该配体来自1-苯基-3-甲基-4-苯甲酰基-5-吡唑啉酮（PMBP）和1,2-双（氨基氧基）乙烷。单晶X射线衍射分析表明，Zn(II)复合物的结构通过分子间氢键形成三维（3D）环状超分子系统。此外，固态光致发光特性表明，Zn(II)复合物表现出由CH3OH调制的异常发光机械致变色。